| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:32 UTC |
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| Update Date | 2025-03-21 18:06:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065789 |
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| Frequency | 46.5 |
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| Structure | |
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| Chemical Formula | C12H16O6S |
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| Molecular Mass | 288.0668 |
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| SMILES | COS(=O)(=O)OC(=O)CCC(O)Cc1ccccc1 |
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| InChI Key | QQPPBJRJSRLSFI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | sulfuric acid esters |
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| Direct Parent | sulfuric acid diesters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfatesbenzene and substituted derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfuric acid diesteralkyl sulfatesecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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